N,N-dimethyl-1-(3-methylthiophen-2-yl)methanamine

C8H13NS — CID 10080668

IUPACN,N-dimethyl-1-(3-methylthiophen-2-yl)methanamine
SMILESCc1ccsc1CN(C)C
InChIInChI=1S/C8H13NS/c1-7-4-5-10-8(7)6-9(2)3/h4-5H,6H2,1-3H3
InChIKeyGTHOHMBPJKGXHA-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.12
Rot. Bonds2

About N,N-dimethyl-1-(3-methylthiophen-2-yl)methanamine

N,N-dimethyl-1-(3-methylthiophen-2-yl)methanamine (PubChem CID 10080668) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is N,N-dimethyl-1-(3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(3-methylthiophen-2-yl)methanamine
PubChem CID10080668
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC NameN,N-dimethyl-1-(3-methylthiophen-2-yl)methanamine
SMILESCc1ccsc1CN(C)C
InChIInChI=1S/C8H13NS/c1-7-4-5-10-8(7)6-9(2)3/h4-5H,6H2,1-3H3
InChIKeyGTHOHMBPJKGXHA-UHFFFAOYSA-N
XLogP2.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(3-methylthiophen-2-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(3-methylthiophen-2-yl)methanamine (CID 10080668) is N,N-dimethyl-1-(3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(3-methylthiophen-2-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(3-methylthiophen-2-yl)methanamine is Cc1ccsc1CN(C)C.
What is the InChIKey of N,N-dimethyl-1-(3-methylthiophen-2-yl)methanamine?
The InChIKey is GTHOHMBPJKGXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-7-4-5-10-8(7)6-9(2)3/h4-5H,6H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(3-methylthiophen-2-yl)methanamine?
N,N-dimethyl-1-(3-methylthiophen-2-yl)methanamine has a molecular weight of 155.27 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 10080668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).